HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1,2-Ethandisulfonsure
NSC-164 · Allergosil · Ethanedisulphonicacid · ethylene disulfonic acid · 1,2-ETHANEDISULFONIC ACID · 1,2-ethanedisulphonic acid · ETHANEDISULFONIC ACID(1,2-) · Ethylenedisulfonic acid
Identifikatoren & physikalische Daten
| CAS No. | 110-04-3 |
|---|---|
| Summenformel | C2H6O6S2 |
| Durchschnittliche Molmasse | 190,2 g/mol |
| Monoisotopische Masse | 189,96058025 g/mol |
| SMILES | O=S(=O)(O)CCS(=O)(=O)O |
| InChIKey | AFAXGSQYZLGZPG-UHFFFAOYSA-N |
| PubChem CID | 8032 |
| ChEMBL | CHEMBL4546972 |
| EC No. | 203-732-0 |
| DTXSID | DTXSID00149089 |
| Lokaler Name | 1,2-Ethandisulfonsure |
Chemische & physikalische Eigenschaften
| XLogP | -2 |
|---|---|
| Polarare Oberfläche (TPSA) | 126 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 239 |
| Schmelzpunkt | 109 °C |
| Dichte | 1.545 (estimate) |
| Brechungsindex | 1.5630 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Sparingly)soluble |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 0.71±0.50(Predicted) |
| Farbe | White to Off-White |
| Merck | 14,3724 |
| InChI | InChI=1S/C2H6O6S2/c3-9(4,5)1-2-10(6,7)8/h1-2H2,(H,3,4,5)(H,6,7,8) |
| InChIKey | AFAXGSQYZLGZPG-UHFFFAOYSA-N |
| SMILES | C(S(O)(=O)=O)CS(O)(=O)=O |
| CAS Datenbank | 110-04-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH290 (22.2%): May be corrosive to metals [Warning Corrosive to Metals]H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H319 (11.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P337+P317, P363, P390, P405, P406, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 9 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Met. Corr. 1 (22.2%)Skin Corr. 1C (100%)Eye Dam. 1 (33.3%)Eye Irrit. 2A (11.1%) |
| UN-Transportnummer | 2585 |
| Zollcode | 29041000 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45-27 |
| Gefahrenklasse | 8 |
| Verpackungsgruppe | II |
Anwendungen & Verwendung
Verwenden
It is employed in the preparation of "edisylate" salts. It is also used in biological studies to evaluate cellular metabolism and allergy using guinea pigs as the subject of the studies.